CID 155659343

C21H41O4Si2 — CID 155659343

IUPAC—
SMILESCCC(C)(C(=O)O[Si](CC)(C1CCCCC1)C1CCCCC1)[Si](OC)OC
InChIInChI=1S/C21H41O4Si2/c1-6-21(3,26(23-4)24-5)20(22)25-27(7-2,18-14-10-8-11-15-18)19-16-12-9-13-17-19/h18-19H,6-17H2,1-5H3
InChIKeyNXAYYOOXEJDOAA-UHFFFAOYSA-N
MW413.73 g/mol
LogP6.11
Rot. Bonds9

About CID 155659343

CID 155659343 (PubChem CID 155659343) has the molecular formula C21H41O4Si2 and a molecular weight of 413.73 g/mol.

Molecular Properties

Compound NameCID 155659343
PubChem CID155659343
Molecular FormulaC21H41O4Si2
Molecular Weight413.73 g/mol
Exact Mass413.25
IUPAC Name—
SMILESCCC(C)(C(=O)O[Si](CC)(C1CCCCC1)C1CCCCC1)[Si](OC)OC
InChIInChI=1S/C21H41O4Si2/c1-6-21(3,26(23-4)24-5)20(22)25-27(7-2,18-14-10-8-11-15-18)19-16-12-9-13-17-19/h18-19H,6-17H2,1-5H3
InChIKeyNXAYYOOXEJDOAA-UHFFFAOYSA-N
XLogP6.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 155659343?
The IUPAC name of CID 155659343 (CID 155659343) is not available.
What is the SMILES notation for CID 155659343?
The canonical SMILES for CID 155659343 is CCC(C)(C(=O)O[Si](CC)(C1CCCCC1)C1CCCCC1)[Si](OC)OC.
What is the InChIKey of CID 155659343?
The InChIKey is NXAYYOOXEJDOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41O4Si2/c1-6-21(3,26(23-4)24-5)20(22)25-27(7-2,18-14-10-8-11-15-18)19-16-12-9-13-17-19/h18-19H,6-17H2,1-5H3.
What are the key properties of CID 155659343?
CID 155659343 has a molecular weight of 413.73 g/mol, XLogP of 6.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155659343 is sourced from PubChem (CID 155659343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).